CID 484394

250720-23-1

Structural Information

Molecular Formula
C19H28O
SMILES
CCC1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)O
InChI
InChI=1S/C19H28O/c1-5-13-14-7-10-17-18(2,3)11-6-12-19(17,4)15(14)8-9-16(13)20/h8-9,17,20H,5-7,10-12H2,1-4H3/t17-,19+/m0/s1
InChIKey
VZQGJBYAFJHRGT-PKOBYXMFSA-N
Compound name
(4bS,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.21402 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.22130 167.4
[M+Na]+ 295.20324 180.3
[M+NH4]+ 290.24784 180.5
[M+K]+ 311.17718 167.9
[M-H]- 271.20674 171.4
[M+Na-2H]- 293.18869 174.1
[M]+ 272.21347 170.9
[M]- 272.21457 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.